2-azanyl-6-(3-bromanyl-4-methoxy-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(3-bromanyl-4-methoxy-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(3-bromo-4-methoxy-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(3-bromo-4-methoxyphenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(3-bromo-4-methoxyphenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(3-bromo-4-methoxy-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C22H27BrN4O3 MolecularWeight: 475.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=C(C=C3)OC)Br)C#N)OCCCC

Isomeric SMILES

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=C(C=C3)OC)Br)C#N)OCCCC

InChI

InChI=1S/C22H27BrN4O3/c1-4-6-10-29-22(30-11-7-5-2)21(14-25)18(20(21,13-24)19(26)27-22)15-8-9-17(28-3)16(23)12-15/h8-9,12,18H,4-7,10-11H2,1-3H3,(H2,26,27)